Vitas-M small molecule compound
4-[(E)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenyl benzoate
Catalog ID
STK095537
SMILES CCOc1cc(ccc1OC(=O)c1ccccc1)/C=C\1/SC(=S)N(C1=O)Cc1ccccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C26H21NO4S2 MW 475.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21NO4S2/c1-2-30-22-15-19(13-14-21(22)31-25(29)20-11-7-4-8-12-20)16-23-24(28)27(26(32)33-23)17-18-9-5-3-6-10-18/h3-16H,2,17H2,1H3/b23-16+InChIKey
KTPDRHHEFZGKKU-XQNSMLJCSA-NSynonyms
(4((E)(3benzyl4oxo2sulfanylidene13thiazolidin5ylidene)methyl)2ethoxyphenyl)benzoate
4((E)(3BENZYL4OXO2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)2ETHOXYPHENYLBENZOATE
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC3=CC=CC=C3)OC(=O)C4=CC=CC=C4
CCOc1cc(ccc1OC(=O)c1ccccc1)C=C1SC(=S)N(C1=O)Cc1ccccc1
InChI=1SC26H21NO4S2c1230221519(131421(22)3125(29)20117481220)162324(28)27(26(32)3323)171895361018h316H217H21H3b2316+
MFCD01207279
STK095537
ZINC000006600517
ZINC06600517
ZINC6600517
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